2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide

C11H18N2O3S — CID 43498586

IUPAC2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-8(2)5-4-6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3
InChIKeyLILNPMISOFEIKH-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.63
Rot. Bonds5

About 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide

2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide (PubChem CID 43498586) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide
PubChem CID43498586
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide
SMILESCCC(CO)NS(=O)(=O)c1c(C)cccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-8(2)5-4-6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3
InChIKeyLILNPMISOFEIKH-UHFFFAOYSA-N
XLogP0.63
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide (CID 43498586) is 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide is CCC(CO)NS(=O)(=O)c1c(C)cccc1N.
What is the InChIKey of 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide?
The InChIKey is LILNPMISOFEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-9(7-14)13-17(15,16)11-8(2)5-4-6-10(11)12/h4-6,9,13-14H,3,7,12H2,1-2H3.
What are the key properties of 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide?
2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxybutan-2-yl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 43498586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).